SCHEMBL145380

SCHEMBL145380

Cc1c(C(=O)N2CC(N3CC(N4Cc5ccccc5C4=O)C3)C2)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
KDM5A P29375 2/20 0.40
SCN1A P35498 6/20 0.39
SCN5A Q14524 6/20 0.39
SCN9A Q15858 6/20 0.39
CES2 O00748 1/20 0.36
MCHR1 Q99705 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
RORC P51449 1/20 0.33
THRB P10828 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL145595 0.90 MGLL (0.55) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL121564 0.82 MGLL (0.51) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL143988 0.82 MGLL (0.48) MGLLCES2ACACBACACA
SCHEMBL144902 0.79 MGLL (0.53) MGLLKDM5A
SCHEMBL912284 0.77 MGLL (0.57) MGLLCES2ACACBACACA
SCHEMBL142482 0.77 MGLL (0.45) MGLLKDM5A
SCHEMBL145405 0.77 MGLL (0.45) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL147191 0.76 MGLL (0.44) MGLLKDM5A
SCHEMBL912512 0.75 MGLL (0.55) MGLLCES2ACACBACACA
SCHEMBL14647897 0.75 MGLL (0.55) MGLLCES2ACACBACACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885SCN1A 2057/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885SCN1A 2057/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM5A 1857/4885SCN1A 1643/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.